Chemical Properties of Sebacic acid, butyl 2,4-dichlorophenyl ester

InChI

InChI=1S/C20H28Cl2O4/c1-2-3-14-25-19(23)10-8-6-4-5-7-9-11-20(24)26-18-13-12-16(21)15-17(18)22/h12-13,15H,2-11,14H2,1H3

InChI Key

PHIBKKKUJIMODU-UHFFFAOYSA-N

Formula

C20H28Cl2O4

SMILES

CCCCOC(=O)CCCCCCCCC(=O)Oc1ccc(Cl)cc1Cl

Molecular Weight¹

403.35

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[437.09; 959.30]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			5.60010e+01
Coefficient B			1.60992e+00
Coefficient C			-8.12920e-04
Coefficient D			1.06300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	437.09	J/mol×K	273.00	Calculated Property
Cp,gas	528.52	J/mol×K	353.78	Calculated Property
Cp,gas	610.81	J/mol×K	434.56	Calculated Property
Cp,gas	684.31	J/mol×K	515.33	Calculated Property
Cp,gas	749.34	J/mol×K	596.11	Calculated Property
Cp,gas	806.24	J/mol×K	676.89	Calculated Property
Cp,gas	855.35	J/mol×K	757.67	Calculated Property
Cp,gas	897.01	J/mol×K	838.44	Calculated Property
Cp,gas	931.55	J/mol×K	919.22	Calculated Property
Cp,gas	959.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004582; 0.0000560]	Pa×s	[511.12; 763.94]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.40402e+01
Coefficient B			3.24662e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			511.12
Temperature range, max.			763.94
η	0.0004582	Pa×s	511.12	Calculated Property
η	0.0003291	Pa×s	539.21	Calculated Property
η	0.0002443	Pa×s	567.30	Calculated Property
η	0.0001865	Pa×s	595.39	Calculated Property
η	0.0001458	Pa×s	623.48	Calculated Property
η	0.0001165	Pa×s	651.57	Calculated Property
η	0.0000948	Pa×s	679.66	Calculated Property
η	0.0000785	Pa×s	707.75	Calculated Property
η	0.0000659	Pa×s	735.84	Calculated Property
η	0.0000560	Pa×s	763.94	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, butyl 2,4-dichlorophenyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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